methyl 1-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl]isonipecotic acid methyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C19H26N4O5S/c1-28-19(25)14-7-10-23(11-8-14)13-18(24)21-15-4-2-5-16(12-15)29(26,27)22-17-6-3-9-20-17/h2,4-5,12,14H,3,6-11,13H2,1H3,(H,20,22)(H,21,24)